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	hartrees
Energy at 0K	-1810.793180
Energy at 298.15K	-1810.797302
HF Energy	-1810.317162
Nuclear repulsion energy	766.236935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	658	627	0.00
2	A₁	555	529	0.00
3	A₁	163	156	0.00
4	A₂	684	651	0.00
5	A₂	202	192	0.00
6	B₁	670	638	0.00
7	B₁	306	291	0.00
8	B₂	938	893	41.82
9	B₂	535	510	74.88
10	B₂	144	137	0.00
11	E	799	761	1.61
11	E	799	761	1.61
12	E	643	613	78.45
12	E	643	613	78.45
13	E	480	457	14.67
13	E	480	457	14.67
14	E	280	267	14.84
14	E	280	267	14.84

Atom	x (Å)	y (Å)	z (Å)
N1	1.339	1.339	0.000
N2	-1.339	1.339	0.000
N3	-1.339	-1.339	0.000
N4	1.339	-1.339	0.000
S5	0.000	1.487	0.955
S6	0.000	-1.487	0.955
S7	1.487	0.000	-0.955
S8	-1.487	0.000	-0.955

	N1	N2	N3	N4	S5	S6	S7	S8
N1		2.6787	3.7882	2.6787	1.6518	3.2703	1.6518	3.2703
N2	2.6787		2.6787	3.7882	1.6518	3.2703	3.2703	1.6518
N3	3.7882	2.6787		2.6787	3.2703	1.6518	3.2703	1.6518
N4	2.6787	3.7882	2.6787		3.2703	1.6518	1.6518	3.2703
S5	1.6518	1.6518	3.2703	3.2703		2.9740	2.8415	2.8415
S6	3.2703	3.2703	1.6518	1.6518	2.9740		2.8415	2.8415
S7	1.6518	3.2703	3.2703	1.6518	2.8415	2.8415		2.9740
S8	3.2703	1.6518	1.6518	3.2703	2.8415	2.8415	2.9740

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
N1	S5	N2	108.350	N1	S7	N4	108.350
N2	S8	N3	108.350	N3	S6	N4	108.350
S5	N1	S7	118.657	S5	N2	S8	118.657
S6	N3	S8	118.657	S6	N4	S7	118.657

All results from a given calculation for S₄N₄ (Tetrasulfur tetranitride)

using model chemistry: B2PLYP/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	N	-0.536
2	N	-0.536
3	N	-0.536
4	N	-0.536
5	S	0.536
6	S	0.536
7	S	0.536
8	S	0.536

<r²>	347.679
(<r²>)^1/2	18.646

All results from a given calculation for S4N4 (Tetrasulfur tetranitride)

using model chemistry: B2PLYP/6-31+G**

States and conformations

All results from a given calculation for S₄N₄ (Tetrasulfur tetranitride)